4-[(5-butyl-3-pentyl-1,2,4-triazol-1-yl)methyl]-3-phenyl-pyridine-2-carboxylic acid

Systemtic Name: 4-[(5-butyl-3-pentyl-1,2,4-triazol-1-yl)methyl]-3-phenyl-pyridine-2-carboxylic acid Openeye Name: 4-[(5-butyl-3-pentyl-1,2,4-triazol-1-yl)methyl]-3-phenyl-pyridine-2-carboxylic acid CAS Name: 4-[(5-butyl-3-pentyl-1,2,4-triazol-1-yl)methyl]-3-phenyl-2-pyridinecarboxylic acid IUPAC Name: 4-[(5-butyl-3-pentyl-1,2,4-triazol-1-yl)methyl]-3-phenylpyridine-2-carboxylic acid Traditional Name: 4-[(3-amyl-5-butyl-1,2,4-triazol-1-yl)methyl]-3-phenyl-picolinic acid Formula: C24H30N4O2 MolecularWeight: 406.5206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN(C(=N1)CCCC)CC2=C(C(=NC=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCCC1=NN(C(=N1)CCCC)CC2=C(C(=NC=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H30N4O2/c1-3-5-8-13-20-26-21(14-6-4-2)28(27-20)17-19-15-16-25-23(24(29)30)22(19)18-11-9-7-10-12-18/h7,9-12,15-16H,3-6,8,13-14,17H2,1-2H3,(H,29,30)